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Ligand

NameVIP Ala24
Molecular formulaC146H237N43O41S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight3282.82
Hydrogen bond acceptor49
Hydrogen bond donor48
XlogP-13.5
SynonymsBDBM85886
Inchi KeyRZCGFXVTKOOEIE-LIPBRQCSSA-N
Inchi IDInChI=1S/C146H237N43O41S/c1-19-75(12)114(142(228)180-98(57-72(6)7)132(218)173-95(117(154)203)62-108(152)197)187-139(225)106(68-191)183-118(204)76(13)164-129(215)96(55-70(2)3)175-133(219)99(59-82-38-42-85(194)43-39-82)176-126(212)89(34-24-27-50-148)167-124(210)90(35-25-28-51-149)171-140(226)112(73(8)9)185-119(205)77(14)163-122(208)94(48-54-231-18)170-128(214)93(46-47-107(151)196)169-123(209)88(33-23-26-49-147)166-125(211)91(36-29-52-160-145(155)156)168-131(217)97(56-71(4)5)174-127(213)92(37-30-53-161-146(157)158)172-143(229)115(79(16)192)188-136(222)100(60-83-40-44-86(195)45-41-83)177-134(220)102(63-109(153)198)178-135(221)104(65-111(201)202)182-144(230)116(80(17)193)189-137(223)101(58-81-31-21-20-22-32-81)181-141(227)113(74(10)11)186-120(206)78(15)165-130(216)103(64-110(199)200)179-138(224)105(67-190)184-121(207)87(150)61-84-66-159-69-162-84/h20-22,31-32,38-45,66,69-80,87-106,112-116,190-195H,19,23-30,33-37,46-65,67-68,147-150H2,1-18H3,(H2,151,196)(H2,152,197)(H2,153,198)(H2,154,203)(H,159,162)(H,163,208)(H,164,215)(H,165,216)(H,166,211)(H,167,210)(H,168,217)(H,169,209)(H,170,214)(H,171,226)(H,172,229)(H,173,218)(H,174,213)(H,175,219)(H,176,212)(H,177,220)(H,178,221)(H,179,224)(H,180,228)(H,181,227)(H,182,230)(H,183,204)(H,184,207)(H,185,205)(H,186,206)(H,187,225)(H,188,222)(H,189,223)(H,199,200)(H,201,202)(H4,155,156,160)(H4,157,158,161)/t75-,76-,77-,78-,79+,80+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,112-,113-,114-,115?,116-/m0/s1
PubChem CID91899028
ChEMBLN/A
IUPHARN/A
BindingDB85886
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
308573Vasoactive intestinal polypeptide receptor 2P35000Vipr2Rattus norvegicus (Rat)437
308574Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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